Molecule

ID:56313

General Information
Structure
Molecular Formula
C₁₁H₇ClO₄
Molecular Mass
238.62388
Exact Mass
238.00328638
Charge
0
InChI
InChI=1S/C11H7ClO4/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3
InChIKey
HEMOMFUKHGXJMF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(=O)c(c2)C(=O)Cl
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7462611
LogD (pH = 7.4)
1.7462611
Log P
1.7462611
Molar Refractivity
57.9446
Polarizability
22.086824
Polar Surface Area
52.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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